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APOLLO-ZINC01042083

 MMsINC code: MMs00049006
Type: Neutral
Formula: C5H10O5S2
SMILES:   S(=O)(=O)(C)C1CS(=O)(=O)CC1O
InChI:   InChI=1/C5H10O5S2/c1-11(7,8)5-3-12(9,10)2-4(5)6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1

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Potential Energy
Epot(MMFF94)=12.8983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.262 g/mol  logS: 0.24082  SlogP: -1.8111  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188566  Sterimol/B1: 2.72444  Sterimol/B2: 3.92336  Sterimol/B3: 4.19377
  Sterimol/B4: 4.22682  Sterimol/L: 10.0063 
 
 Surface and Volume Properties
  Accessible surface: 346.467  Positive charged surface: 170.468  Negative charged surface: 175.999  Volume: 156
  Hydrophobic surface: 168.159  Hydrophilic surface: 178.308
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.